2-chloroethoxybenzene

C8H9ClO — CID 12156

IUPAC2-chloroethoxybenzene
SMILESClCCOc1ccccc1
InChIInChI=1S/C8H9ClO/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyVQUYNUJARXBNPK-UHFFFAOYSA-N
MW156.61 g/mol
LogP2.30
Rot. Bonds3

About 2-chloroethoxybenzene

2-chloroethoxybenzene (PubChem CID 12156) has the molecular formula C8H9ClO and a molecular weight of 156.61 g/mol. Its IUPAC name is 2-chloroethoxybenzene.

Molecular Properties

Compound Name2-chloroethoxybenzene
PubChem CID12156
Molecular FormulaC8H9ClO
Molecular Weight156.61 g/mol
Exact Mass156.03
IUPAC Name2-chloroethoxybenzene
SMILESClCCOc1ccccc1
InChIInChI=1S/C8H9ClO/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyVQUYNUJARXBNPK-UHFFFAOYSA-N
XLogP2.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.61
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

Phenoxyethanol
CID 31236
Phenyl glycidyl ether
CID 31217
Diphenyl Ether
CID 7583
Anisole
CID 7519
Phenetole
CID 7674
1,2-Diphenoxyethane
CID 7713
2-(2-Phenoxyethoxy)ethanol
CID 7715
p-Methoxyphenetole
CID 78760
Butyl phenyl ether
CID 14311
Benzene, (2-bromoethoxy)-
CID 68526
1,4-Diethoxybenzene
CID 67150
Allyl phenyl ether
CID 74458

Frequently Asked Questions

What is the IUPAC name of 2-chloroethoxybenzene?
The IUPAC name of 2-chloroethoxybenzene (CID 12156) is 2-chloroethoxybenzene.
What is the SMILES notation for 2-chloroethoxybenzene?
The canonical SMILES for 2-chloroethoxybenzene is ClCCOc1ccccc1.
What is the InChIKey of 2-chloroethoxybenzene?
The InChIKey is VQUYNUJARXBNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7H2.
What are the key properties of 2-chloroethoxybenzene?
2-chloroethoxybenzene has a molecular weight of 156.61 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethoxybenzene is sourced from PubChem (CID 12156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).